2-methyl-2-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid

C12H17NO3 — CID 105480462

IUPAC2-methyl-2-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
SMILESCC(C)n1cccc(C(C)(C)C(=O)O)c1=O
InChIInChI=1S/C12H17NO3/c1-8(2)13-7-5-6-9(10(13)14)12(3,4)11(15)16/h5-8H,1-4H3,(H,15,16)
InChIKeyXJZHADSUYGXWOO-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.79
Rot. Bonds3

About 2-methyl-2-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid

2-methyl-2-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid (PubChem CID 105480462) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-methyl-2-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
PubChem CID105480462
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-methyl-2-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
SMILESCC(C)n1cccc(C(C)(C)C(=O)O)c1=O
InChIInChI=1S/C12H17NO3/c1-8(2)13-7-5-6-9(10(13)14)12(3,4)11(15)16/h5-8H,1-4H3,(H,15,16)
InChIKeyXJZHADSUYGXWOO-UHFFFAOYSA-N
XLogP1.79
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid
CID 117119738
3-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
CID 82527096
2-methyl-2-[2-(1,1,2,2-tetrafluoroethyl)phenyl]propanoic acid
CID 84729711
2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylpropanoic acid
CID 165489781
3-[1-(dimethylamino)ethyl]-1-propan-2-ylpyridin-2-one
CID 146182804
2,2,2-trifluoro-1-(1-propan-2-ylpyrrol-2-yl)ethanone
CID 45081000
2-(3-amino-2-oxo-1-pyridinyl)-3,3-dimethylbutanoic acid
CID 57147718
ethane;3-nitro-1-propan-2-ylpyridin-2-one
CID 142524003
2-methyl-2-[2-(1,2,2-trifluoroethyl)phenyl]propanoic acid
CID 84728614
sodium;2-(2-fluorophenyl)-2-methylpropanoic acid;hydride
CID 173208060
2-methyl-2-(2-nitrosophenyl)propanoic acid
CID 130121803
2-(1,2-dimethylindol-4-yl)-2-methylpropanoic acid
CID 117204331

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid?
The IUPAC name of 2-methyl-2-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid (CID 105480462) is 2-methyl-2-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid?
The canonical SMILES for 2-methyl-2-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid is CC(C)n1cccc(C(C)(C)C(=O)O)c1=O.
What is the InChIKey of 2-methyl-2-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid?
The InChIKey is XJZHADSUYGXWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(2)13-7-5-6-9(10(13)14)12(3,4)11(15)16/h5-8H,1-4H3,(H,15,16).
What are the key properties of 2-methyl-2-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid?
2-methyl-2-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid is sourced from PubChem (CID 105480462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).